[
  {
    "molid": "mol34798",
    "smiles": "CC(NC(=O)CN)(NC(=O)CN)C(=O)O",
    "microspecies": [
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(NC(=O)C[NH3+])(NC(=O)C[NH3+])C(=O)[O-]",
        "std_free_energy": -12.07298469543457,
        "relative_population": 0.9999279109702993
      },
      {
        "id": "2_5",
        "charge": 2,
        "smiles": "CC(NC(=O)C[NH3+])(NC(=O)C[NH3+])C(=O)O",
        "std_free_energy": -2.245823383331299,
        "relative_population": 0.9999032540851226
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.79999995231628,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]